1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

C20H23N5O3 — CID 122090975

IUPAC1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1cccc(C#N)c1
InChIInChI=1S/C20H23N5O3/c1-2-4-18-17(13-22-25(18)16-6-3-5-14(11-16)12-21)23-20(28)24-9-7-15(8-10-24)19(26)27/h3,5-6,11,13,15H,2,4,7-10H2,1H3,(H,23,28)(H,26,27)
InChIKeyNIFHWUCWPGCTBH-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.02
Rot. Bonds5

About 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122090975) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122090975
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1cccc(C#N)c1
InChIInChI=1S/C20H23N5O3/c1-2-4-18-17(13-22-25(18)16-6-3-5-14(11-16)12-21)23-20(28)24-9-7-15(8-10-24)19(26)27/h3,5-6,11,13,15H,2,4,7-10H2,1H3,(H,23,28)(H,26,27)
InChIKeyNIFHWUCWPGCTBH-UHFFFAOYSA-N
XLogP3.02
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122089636
3-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090983
3-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090974
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
5-methyl-1-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102969
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
1-[(3-cyano-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087279
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438
1-[(5-cyano-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078336

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122090975) is 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is CCCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1cccc(C#N)c1.
What is the InChIKey of 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is NIFHWUCWPGCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-4-18-17(13-22-25(18)16-6-3-5-14(11-16)12-21)23-20(28)24-9-7-15(8-10-24)19(26)27/h3,5-6,11,13,15H,2,4,7-10H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 381.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122090975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).